N-[[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]cyclobutanecarboxamide

C20H29N3O2 — CID 110241999

IUPACN-[[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
SMILESCC(=O)NCC1CCC(C(NC(=O)C2CCC2)c2ccccn2)CC1
InChIInChI=1S/C20H29N3O2/c1-14(24)22-13-15-8-10-16(11-9-15)19(18-7-2-3-12-21-18)23-20(25)17-5-4-6-17/h2-3,7,12,15-17,19H,4-6,8-11,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyWZCXBEWLPPBAIU-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.98
Rot. Bonds6

About N-[[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]cyclobutanecarboxamide

N-[[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]cyclobutanecarboxamide (PubChem CID 110241999) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
PubChem CID110241999
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
SMILESCC(=O)NCC1CCC(C(NC(=O)C2CCC2)c2ccccn2)CC1
InChIInChI=1S/C20H29N3O2/c1-14(24)22-13-15-8-10-16(11-9-15)19(18-7-2-3-12-21-18)23-20(25)17-5-4-6-17/h2-3,7,12,15-17,19H,4-6,8-11,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyWZCXBEWLPPBAIU-UHFFFAOYSA-N
XLogP2.98
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 98135966
N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-phenylacetamide
CID 110241906
N-[[4-[(R)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-3-methylbutanamide
CID 98135945
N-[(S)-[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2-(3-fluorophenyl)acetamide
CID 98136163
N-[(S)-[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 98136166
N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(4-methylphenyl)acetamide
CID 110241919
N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-methoxybenzamide
CID 98135958
N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-aminopyridine-3-carboxamide
CID 98136032
N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(4-methyltriazol-1-yl)acetamide
CID 98136040
N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-5-aminopyridine-3-carboxamide
CID 110241934
N-[[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
CID 110229233
(3R)-N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 97218411

Frequently Asked Questions

What is the IUPAC name of N-[[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]cyclobutanecarboxamide?
The IUPAC name of N-[[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]cyclobutanecarboxamide (CID 110241999) is N-[[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]cyclobutanecarboxamide is CC(=O)NCC1CCC(C(NC(=O)C2CCC2)c2ccccn2)CC1.
What is the InChIKey of N-[[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]cyclobutanecarboxamide?
The InChIKey is WZCXBEWLPPBAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14(24)22-13-15-8-10-16(11-9-15)19(18-7-2-3-12-21-18)23-20(25)17-5-4-6-17/h2-3,7,12,15-17,19H,4-6,8-11,13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]cyclobutanecarboxamide?
N-[[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]cyclobutanecarboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]cyclobutanecarboxamide is sourced from PubChem (CID 110241999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).